============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 6 1.000 15.520 -4.324 1.656 -99.200 -91.000 HIS 8 0.900 24.287 1.420 2.860 -99.200 -91.000 TYR 22 0.840 17.477 -9.094 12.846 -99.200 -91.000 PHE 31 1.000 10.337 -14.744 13.633 -99.200 -91.000 TYR 47 0.840 40.599 -10.671 2.739 -99.200 -91.000 TYR 51 0.840 40.058 -15.201 6.491 -99.200 -91.000 PHE 52 1.000 35.673 -14.659 8.559 -99.200 -91.000 HIS 75 0.900 18.416 0.697 4.537 -99.200 -91.000 HIS 96 0.900 26.020 2.364 12.272 -99.200 -91.000 HIS 97 0.900 23.929 4.735 9.617 -99.200 -91.000 PHE 102 1.000 11.507 4.280 8.826 -99.200 -91.000 TYR 109 0.840 13.024 -5.063 17.930 -99.200 -91.000 TYR 110 0.840 14.076 2.939 13.653 -99.200 -91.000 TYR 126 0.840 23.488 -13.938 16.058 -99.200 -91.000 PHE 152 1.000 38.957 -2.244 16.021 -99.200 -91.000 TYR 179 0.840 39.052 -10.635 8.373 -99.200 -91.000